Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50042355   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335734 (CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335711 (CHEMBL1650355 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-4-8-16(25-2)9-5-14)22-20(23-19)15-6-10-17(26-3)11-7-15/h4-12H,1-3H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424514 (CHEMBL2312110) Show SMILES COc1ccc(cc1OC)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-16(14-6-8-17(27-2)19(10-14)29-4)24-22(25-21)15-7-9-18(28-3)20(11-15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335731 (CHEMBL1650376 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...) Show SMILES COc1ccc(c(OC)c1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-18(16-8-6-14(27-2)10-19(16)29-4)24-22(25-21)17-9-7-15(28-3)11-20(17)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424515 (CHEMBL2311746) Show SMILES COc1ccc(OC)c(c1)-c1cc(NC(C)=O)nc(n1)-c1cc(OC)ccc1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-18(16-10-14(27-2)6-8-19(16)29-4)24-22(25-21)17-11-15(28-3)7-9-20(17)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50157676 (CHEMBL426565 | N-(2,6-diphenylpyrimidin-4-yl)aceta...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335734 (CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335728 (CHEMBL1650373 | N-2,6-bis2-fluorophenyl)pyrimidin-...) Show SMILES COc1ccccc1-c1cc(NC(C)=O)nc(n1)-c1ccccc1OC Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-16(14-8-4-6-10-17(14)25-2)22-20(23-19)15-9-5-7-11-18(15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424512 (CHEMBL2312112) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(NC(C)=O)nc(n1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C24H27N3O7/c1-13(28)25-21-12-16(14-8-17(29-2)22(33-6)18(9-14)30-3)26-24(27-21)15-10-19(31-4)23(34-7)20(11-15)32-5/h8-12H,1-7H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50157676 (CHEMBL426565 | N-(2,6-diphenylpyrimidin-4-yl)aceta...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424517 (CHEMBL2311743) Show SMILES CCOc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OCC)cc1 Show InChI InChI=1S/C22H23N3O3/c1-4-27-18-10-6-16(7-11-18)20-14-21(23-15(3)26)25-22(24-20)17-8-12-19(13-9-17)28-5-2/h6-14H,4-5H2,1-3H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424510 (CHEMBL2311745) Show SMILES COc1cccc(-c2cc(NC(C)=O)nc(n2)-c2cccc(OC)c2OC)c1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-19-12-16(14-8-6-10-17(27-2)20(14)29-4)24-22(25-19)15-9-7-11-18(28-3)21(15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]4-(2-[7-Amino-2-(2-furyl) [1,2,4]triazolo[2,3-alpha] [1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expr...				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424513 (CHEMBL2312111) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-20(14-6-16(27-2)10-17(7-14)28-3)24-22(25-21)15-8-18(29-4)11-19(9-15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK-293 cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50157676 (CHEMBL426565 | N-(2,6-diphenylpyrimidin-4-yl)aceta...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]4-(2-[7-Amino-2-(2-furyl) [1,2,4]triazolo[2,3-alpha] [1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expr...				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50424510 (CHEMBL2311745) Show SMILES COc1cccc(-c2cc(NC(C)=O)nc(n2)-c2cccc(OC)c2OC)c1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-19-12-16(14-8-6-10-17(27-2)20(14)29-4)24-22(25-19)15-9-7-11-18(28-3)21(15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	375	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]4-(2-[7-Amino-2-(2-furyl) [1,2,4]triazolo[2,3-alpha] [1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expr...				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424518 (CHEMBL2311742) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc(OC(F)(F)F)cc1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H13F6N3O3/c1-11(30)27-17-10-16(12-2-6-14(7-3-12)31-19(21,22)23)28-18(29-17)13-4-8-15(9-5-13)32-20(24,25)26/h2-10H,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50424510 (CHEMBL2311745) Show SMILES COc1cccc(-c2cc(NC(C)=O)nc(n2)-c2cccc(OC)c2OC)c1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-19-12-16(14-8-6-10-17(27-2)20(14)29-4)24-22(25-19)15-9-7-11-18(28-3)21(15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	494	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK-293 cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424516 (CHEMBL2311744) Show SMILES COc1ccc(\C=C\c2cc(NC(C)=O)nc(\C=C\c3ccc(OC)cc3)n2)cc1 Show InChI InChI=1S/C24H23N3O3/c1-17(28)25-24-16-20(10-4-18-5-11-21(29-2)12-6-18)26-23(27-24)15-9-19-7-13-22(30-3)14-8-19/h4-16H,1-3H3,(H,25,26,27,28)/b10-4+,15-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50335734 (CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]4-(2-[7-Amino-2-(2-furyl) [1,2,4]triazolo[2,3-alpha] [1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expr...				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair